(3-amino-1,3-thiazolidin-2-ylidene)cyanamide

C4H6N4S — CID 166854526

IUPAC(3-amino-1,3-thiazolidin-2-ylidene)cyanamide
SMILESN#C/N=C1\SCCN1N
InChIInChI=1S/C4H6N4S/c5-3-7-4-8(6)1-2-9-4/h1-2,6H2/b7-4-
InChIKeyITXDWVRDYOBZLA-DAXSKMNVSA-N
MW142.19 g/mol
LogP-0.25
Rot. Bonds

About (3-amino-1,3-thiazolidin-2-ylidene)cyanamide

(3-amino-1,3-thiazolidin-2-ylidene)cyanamide (PubChem CID 166854526) has the molecular formula C4H6N4S and a molecular weight of 142.19 g/mol. Its IUPAC name is (3-amino-1,3-thiazolidin-2-ylidene)cyanamide.

Molecular Properties

Compound Name(3-amino-1,3-thiazolidin-2-ylidene)cyanamide
PubChem CID166854526
Molecular FormulaC4H6N4S
Molecular Weight142.19 g/mol
Exact Mass142.03
IUPAC Name(3-amino-1,3-thiazolidin-2-ylidene)cyanamide
SMILESN#C/N=C1\SCCN1N
InChIInChI=1S/C4H6N4S/c5-3-7-4-8(6)1-2-9-4/h1-2,6H2/b7-4-
InChIKeyITXDWVRDYOBZLA-DAXSKMNVSA-N
XLogP-0.25
TPSA65.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.19
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3-amino-1,3-thiazolidin-2-ylidene)cyanamide?
The IUPAC name of (3-amino-1,3-thiazolidin-2-ylidene)cyanamide (CID 166854526) is (3-amino-1,3-thiazolidin-2-ylidene)cyanamide.
What is the SMILES notation for (3-amino-1,3-thiazolidin-2-ylidene)cyanamide?
The canonical SMILES for (3-amino-1,3-thiazolidin-2-ylidene)cyanamide is N#C/N=C1\SCCN1N.
What is the InChIKey of (3-amino-1,3-thiazolidin-2-ylidene)cyanamide?
The InChIKey is ITXDWVRDYOBZLA-DAXSKMNVSA-N. The full InChI is InChI=1S/C4H6N4S/c5-3-7-4-8(6)1-2-9-4/h1-2,6H2/b7-4-.
What are the key properties of (3-amino-1,3-thiazolidin-2-ylidene)cyanamide?
(3-amino-1,3-thiazolidin-2-ylidene)cyanamide has a molecular weight of 142.19 g/mol, XLogP of -0.25, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-1,3-thiazolidin-2-ylidene)cyanamide is sourced from PubChem (CID 166854526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).